SCHEMBL3022089

SCHEMBL3022089

C=C(C)CN(C(C)=O)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACHE P22303 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BCL2A1 Q16548 1/20 0.40
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
S100A4 P26447 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29204630 0.85 OPRM1 (0.44) BCL2A1POLBAPEX1TDP1SMN1; SMN2
SCHEMBL1607897 0.84 MEN1 (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL14248561 0.84 ACHE (0.44) ALDH1A1KDM4EL3MBTL1ACHEMEN1
SCHEMBL28431105 0.82 MMP2 (0.45) ALDH1A1KDM4EMEN1KMT2ABCL2A1
SCHEMBL28432352 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL6511106 0.81 ALDH1A1 (0.50) ALDH1A1L3MBTL1ACHEMEN1KMT2A
SCHEMBL5045338 0.79 ALDH1A1 (0.47) ALDH1A1KDM4EL3MBTL1ACHEMEN1
SCHEMBL16494644 0.79 TSPO (0.49) ALDH1A1ACHEKMT2ABCL2A1TSHR
SCHEMBL14248928 0.77 TDP1 (0.51) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL15215895 0.76 POLB (0.49) ALDH1A1KDM4EL3MBTL1ACHEMEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108947886-B Polychlorinated methyl substituted indoline compound and synthetic method and application thereof 江苏理工学院 2021-05-18 CN disclosed
US-20100204200-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2010-08-12 US disclosed
US-7732449-B2 Inhibitors of cathepsin S IRM LLC (BM) 2010-06-08 US disclosed
EP-1658267-B1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-10-14 EP disclosed
US-20090137570-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2009-05-28 US disclosed
US-7507755-B2 Inhibitors of cathepsin s IRM LLC (BM) 2009-03-24 US disclosed
US-7501408-B2 Inhibitors of cathepsin S IRM LLC (BM) 2009-03-10 US disclosed
EP-1658274-A4 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-11-12 EP disclosed
US-20080242671-A1 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2008-10-02 US disclosed
US-7384970-B2 Inhibitors of cathepsin S IRM LLC (BM) 2008-06-10 US disclosed
US-20050113356-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-05-26 US disclosed
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate IRM LLC (BM) 2005-05-19 US disclosed
WO-2005034848-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-04-21 WO disclosed
US-20050049244-A1 Inhibitors of cathepsin S IRM LLC (BM) 2005-03-03 US disclosed
WO-2005018568-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2005-03-03 WO disclosed
WO-2004112709-A2 INHIBITORS OF CATHEPSIN S IRM LLC (BM) 2004-12-29 WO disclosed
US-20040248887-A1 Inhibitors of cathepsin S IRM LLC (BM) 2004-12-09 US disclosed
US-6274594-B1 ANTICONVULSANTS, ANALGESICS; NERUOPATHIC, CANCER AND DENTAL PAIN; SMITHKLINE BEECHAM P.L.C. (GB) 2001-08-14 US disclosed
EP-1032570-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM PLC (GB) 2000-09-06 EP disclosed
WO-1999025709-A1 ISOQUINOLINE DERIVATIVES AND THEIR THERAPEUTICAL USE SMITHKLINE BEECHAM P.L.C. (GB) 1999-05-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090137570-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KDM4E 4001/4885L3MBTL1 1831/4885
US-20050107368-A1 Selective in presence of at least one other cathepsin isozyme; such as 1-(5,6-dichloro-benzimidazol-1-ylmethyl)-3,3-dimethyl-butyl [2-(5-fluoro-2,3-dihydro-indol-1-yl)-1-hydroxymethyl-ethyl]carbamate CTSS, CTSZ, CTSV ALDH1A1 1040/4885KDM4E 582/4885L3MBTL1 958/4885
US-20050049244-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KDM4E 4001/4885L3MBTL1 1831/4885
US-20040248887-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KDM4E 4001/4885L3MBTL1 1831/4885
US-20080242671-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KDM4E 4001/4885L3MBTL1 1831/4885
US-20050113356-A1 Inhibitors of cathepsin S CTSS, CTSB, CTSZ ALDH1A1 3512/4885KDM4E 4001/4885L3MBTL1 1831/4885
US-20100204200-A1 INHIBITORS OF CATHEPSIN S CTSS, CTSE, CTSV ALDH1A1 2502/4885KDM4E 3000/4885L3MBTL1 2956/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.